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17-Noranthiaergostan-5,7,9-trien-3-ol, 17-acetyl

View entire compound with spectra: 1 FTIR

17-Noranthiaergostan-5,7,9-trien-3-ol, 17-acetyl
SpectraBase Compound ID 9pnyuBXb2RF
InChI InChI=1S/C21H28O2/c1-12-16-8-9-21(3)19(13(2)22)6-7-20(21)18(16)10-14-4-5-15(23)11-17(12)14/h10,15,19-20,23H,4-9,11H2,1-3H3
InChIKey XVJUIBQOOYFJNL-UHFFFAOYSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3hD6TTLhCZ7
Name 17-Noranthiaergostan-5,7,9-trien-3-ol, 17-acetyl
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.208930140 u
Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-12-16-8-9-21(3)19(13(2)22)6-7-20(21)18(16)10-14-4-5-15(23)11-17(12)14/h10,15,19-20,23H,4-9,11H2,1-3H3
InChIKey XVJUIBQOOYFJNL-UHFFFAOYSA-N
Molecular Weight 312.453 g/mol
SMILES CC1=C2C(=CC3=C1CCC1(C3CCC1C(=O)C)C)CCC(C2)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.848369